CID 56593241

1-(2-amino-3-methylbutanoyl)azetidine-2-carbonitrile

Structural Information

Molecular Formula
C9H15N3O
SMILES
CC(C)C(C(=O)N1CCC1C#N)N
InChI
InChI=1S/C9H15N3O/c1-6(2)8(11)9(13)12-4-3-7(12)5-10/h6-8H,3-4,11H2,1-2H3
InChIKey
UHKUQSBZFWWHQL-UHFFFAOYSA-N
Compound name
1-(2-amino-3-methylbutanoyl)azetidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

181.1215 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 149.0
[M+Na]+ 204.11072 152.8
[M+NH4]+ 199.15532 148.6
[M+K]+ 220.08466 147.9
[M-H]- 180.11422 139.4
[M+Na-2H]- 202.09617 146.5
[M]+ 181.12095 144.6
[M]- 181.12205 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.